N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide

C23H26N2O2S — CID 58033028

IUPACN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1ncc(Cc2ccccc2OC)s1)c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-4-16(2)21(17-10-6-5-7-11-17)22(26)25-23-24-15-19(28-23)14-18-12-8-9-13-20(18)27-3/h5-13,15-16,21H,4,14H2,1-3H3,(H,24,25,26)
InChIKeyLZNMPWPSPYCDDY-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.51
Rot. Bonds8

About N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide

N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide (PubChem CID 58033028) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide
PubChem CID58033028
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)Nc1ncc(Cc2ccccc2OC)s1)c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-4-16(2)21(17-10-6-5-7-11-17)22(26)25-23-24-15-19(28-23)14-18-12-8-9-13-20(18)27-3/h5-13,15-16,21H,4,14H2,1-3H3,(H,24,25,26)
InChIKeyLZNMPWPSPYCDDY-UHFFFAOYSA-N
XLogP5.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
2-methoxy-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 143018395
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 58032966
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 11581668
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 17033979
N-(4-fluoro-2-methoxyphenyl)-3-methyl-2-phenylpentanamide
CID 55593206
1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 11683549
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide?
The IUPAC name of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide (CID 58033028) is N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)Nc1ncc(Cc2ccccc2OC)s1)c1ccccc1.
What is the InChIKey of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide?
The InChIKey is LZNMPWPSPYCDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-4-16(2)21(17-10-6-5-7-11-17)22(26)25-23-24-15-19(28-23)14-18-12-8-9-13-20(18)27-3/h5-13,15-16,21H,4,14H2,1-3H3,(H,24,25,26).
What are the key properties of N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide?
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide has a molecular weight of 394.54 g/mol, XLogP of 5.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 58033028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).